2-aminobenzimidazole-1-carboxylic acid

C8H7N3O2 — CID 20537592

IUPAC2-aminobenzimidazole-1-carboxylic acid
SMILESNc1nc2ccccc2n1C(=O)O
InChIInChI=1S/C8H7N3O2/c9-7-10-5-3-1-2-4-6(5)11(7)8(12)13/h1-4H,(H2,9,10)(H,12,13)
InChIKeyZNKNIYSTYQQBLR-UHFFFAOYSA-N
MW177.16 g/mol
LogP1.14
Rot. Bonds

About 2-aminobenzimidazole-1-carboxylic acid

2-aminobenzimidazole-1-carboxylic acid (PubChem CID 20537592) has the molecular formula C8H7N3O2 and a molecular weight of 177.16 g/mol. Its IUPAC name is 2-aminobenzimidazole-1-carboxylic acid.

Molecular Properties

Compound Name2-aminobenzimidazole-1-carboxylic acid
PubChem CID20537592
Molecular FormulaC8H7N3O2
Molecular Weight177.16 g/mol
Exact Mass177.05
IUPAC Name2-aminobenzimidazole-1-carboxylic acid
SMILESNc1nc2ccccc2n1C(=O)O
InChIInChI=1S/C8H7N3O2/c9-7-10-5-3-1-2-4-6(5)11(7)8(12)13/h1-4H,(H2,9,10)(H,12,13)
InChIKeyZNKNIYSTYQQBLR-UHFFFAOYSA-N
XLogP1.14
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-aminobenzimidazol-1-yl)-4-oxobutanoic acid
CID 96582906
1-(2-aminobenzimidazol-1-yl)-2,2-dimethylpropan-1-one
CID 87845510
(2-aminobenzimidazol-1-yl)-(1-benzofuran-2-yl)methanone
CID 112528084
(2-aminobenzimidazol-1-yl)-(4-chlorophenyl)methanone
CID 1088433
2-amino-N-ethylbenzimidazole-1-carboxamide
CID 12526522
2-amino-N-(1H-benzimidazol-2-yl)benzimidazole-1-carboxamide
CID 159257765
1-(2-aminobenzimidazol-1-yl)hexa-2,4-dien-1-one
CID 54137227
1-(2-aminobenzimidazol-1-yl)-2-(4-aminotriazol-2-yl)ethanone
CID 112528013
(2-aminobenzimidazol-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone
CID 112528001
2-(2-aminobenzimidazol-1-yl)-4-phenylbutanoic acid
CID 82358989
3-(2-aminobenzimidazol-1-yl)butan-2-one
CID 82358956
3-[(2-aminobenzimidazol-1-yl)methyl]benzoic acid
CID 82358949

Frequently Asked Questions

What is the IUPAC name of 2-aminobenzimidazole-1-carboxylic acid?
The IUPAC name of 2-aminobenzimidazole-1-carboxylic acid (CID 20537592) is 2-aminobenzimidazole-1-carboxylic acid.
What is the SMILES notation for 2-aminobenzimidazole-1-carboxylic acid?
The canonical SMILES for 2-aminobenzimidazole-1-carboxylic acid is Nc1nc2ccccc2n1C(=O)O.
What is the InChIKey of 2-aminobenzimidazole-1-carboxylic acid?
The InChIKey is ZNKNIYSTYQQBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2/c9-7-10-5-3-1-2-4-6(5)11(7)8(12)13/h1-4H,(H2,9,10)(H,12,13).
What are the key properties of 2-aminobenzimidazole-1-carboxylic acid?
2-aminobenzimidazole-1-carboxylic acid has a molecular weight of 177.16 g/mol, XLogP of 1.14, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminobenzimidazole-1-carboxylic acid is sourced from PubChem (CID 20537592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).